Structure Database (LMSD)

Common Name
8-[5]-ladderane-1-octanol
Systematic Name
8-[5]-ladderane-1-octanol
Synonyms
LM ID
LMFA05000064
Formula
C20H32O
Exact Mass
Calculate m/z
288.245315
Sum Composition
FOH 20:5
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
OMPYRTSKXURLIN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H32O/c21-10-6-4-2-1-3-5-7-12-11-15-16(12)20-18-14-9-8-13(14)17(18)19(15)20/h12-21H,1-11H2
SMILES (Click to copy)
C1C2C3C4C5CC(CCCCCCCCO)C5C4C3C2C1

Other Databases

PubChem CID
10334330

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 5
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 301.55
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.78
Molar Refractivity 85.16

Admin

Created at
-
Updated at
-